2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide

C13H13BrN2O2S — CID 43452387

IUPAC2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-4-2-7-12(15)13(9)19(17,18)16-11-6-3-5-10(14)8-11/h2-8,16H,15H2,1H3
InChIKeyWPMIVCBLGSTLHE-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.14
Rot. Bonds3

About 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide

2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide (PubChem CID 43452387) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
PubChem CID43452387
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-4-2-7-12(15)13(9)19(17,18)16-11-6-3-5-10(14)8-11/h2-8,16H,15H2,1H3
InChIKeyWPMIVCBLGSTLHE-UHFFFAOYSA-N
XLogP3.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125702
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
1-bromo-3-(sulfamoylamino)benzene
CID 24707479

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide (CID 43452387) is 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide?
The InChIKey is WPMIVCBLGSTLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9-4-2-7-12(15)13(9)19(17,18)16-11-6-3-5-10(14)8-11/h2-8,16H,15H2,1H3.
What are the key properties of 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide?
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).